3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole

C9H9BrN4O — CID 61495208

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESBrc1cnn(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-11-14(4-7)5-8-12-9(15-13-8)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyHKLYEVDKNFSNMY-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.95
Rot. Bonds3

About 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 61495208) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID61495208
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESBrc1cnn(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-11-14(4-7)5-8-12-9(15-13-8)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyHKLYEVDKNFSNMY-UHFFFAOYSA-N
XLogP1.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 61495208) is 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole is Brc1cnn(Cc2noc(C3CC3)n2)c1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is HKLYEVDKNFSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-7-3-11-14(4-7)5-8-12-9(15-13-8)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 269.10 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 61495208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).